1-[(3R)-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidin-3-yl]imidazolidin-2-one

C19H26N4O2 — CID 99846809

IUPAC1-[(3R)-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidin-3-yl]imidazolidin-2-one
SMILESCc1ccc(N2CC[C@@H](N3CCC[C@@H](N4CCNC4=O)C3)C2=O)cc1
InChIInChI=1S/C19H26N4O2/c1-14-4-6-15(7-5-14)22-11-8-17(18(22)24)21-10-2-3-16(13-21)23-12-9-20-19(23)25/h4-7,16-17H,2-3,8-13H2,1H3,(H,20,25)/t16-,17-/m1/s1
InChIKeyJYFICQJRGYZWGS-IAGOWNOFSA-N
MW342.44 g/mol
LogP1.59
Rot. Bonds3

About 1-[(3R)-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidin-3-yl]imidazolidin-2-one

1-[(3R)-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidin-3-yl]imidazolidin-2-one (PubChem CID 99846809) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(3R)-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3R)-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidin-3-yl]imidazolidin-2-one
PubChem CID99846809
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[(3R)-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidin-3-yl]imidazolidin-2-one
SMILESCc1ccc(N2CC[C@@H](N3CCC[C@@H](N4CCNC4=O)C3)C2=O)cc1
InChIInChI=1S/C19H26N4O2/c1-14-4-6-15(7-5-14)22-11-8-17(18(22)24)21-10-2-3-16(13-21)23-12-9-20-19(23)25/h4-7,16-17H,2-3,8-13H2,1H3,(H,20,25)/t16-,17-/m1/s1
InChIKeyJYFICQJRGYZWGS-IAGOWNOFSA-N
XLogP1.59
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 110020239
(3S)-1-phenyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrrolidin-2-one
CID 95763143
methane;1-(4-methylphenyl)imidazolidin-2-one
CID 143511114
1-(4-methylphenyl)-3-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]pyrrolidin-2-one
CID 119036475
1-[1-(5-methyl-1,3-benzoxazol-2-yl)piperidin-3-yl]imidazolidin-2-one
CID 167950185
1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]imidazolidin-2-one
CID 133314231
N-[[1-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidin-4-yl]methyl]methanesulfonamide
CID 126805259
1-(1-benzylpiperidin-3-yl)imidazolidin-2-one
CID 78980069
1-(1-methylpyrrolidin-3-yl)imidazolidin-2-one
CID 115370558
1-[(3R)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 95590514
1-(2-fluoro-5-methylphenyl)-3-[3-(methylamino)piperidin-1-yl]piperidin-2-one
CID 119919252
4-[(3R)-2-oxo-3-[(4R)-4-propylazepan-1-yl]pyrrolidin-1-yl]benzonitrile
CID 94870898

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[(3R)-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidin-3-yl]imidazolidin-2-one (CID 99846809) is 1-[(3R)-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3R)-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(3R)-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidin-3-yl]imidazolidin-2-one is Cc1ccc(N2CC[C@@H](N3CCC[C@@H](N4CCNC4=O)C3)C2=O)cc1.
What is the InChIKey of 1-[(3R)-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidin-3-yl]imidazolidin-2-one?
The InChIKey is JYFICQJRGYZWGS-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-4-6-15(7-5-14)22-11-8-17(18(22)24)21-10-2-3-16(13-21)23-12-9-20-19(23)25/h4-7,16-17H,2-3,8-13H2,1H3,(H,20,25)/t16-,17-/m1/s1.
What are the key properties of 1-[(3R)-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidin-3-yl]imidazolidin-2-one?
1-[(3R)-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidin-3-yl]imidazolidin-2-one has a molecular weight of 342.44 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 99846809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).